[(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate

C24H28N6O3 — CID 24765897

IUPAC[(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
SMILESCN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C)c1ccccc1
InChIInChI=1S/C24H28N6O3/c1-24(2)20-17(21(28-27-20)26-22(31)18-12-8-9-13-25-18)14-30(24)23(32)33-19(15-29(3)4)16-10-6-5-7-11-16/h5-13,19H,14-15H2,1-4H3,(H2,26,27,28,31)/t19-/m1/s1
InChIKeyDDZMUAKMLZHEEB-LJQANCHMSA-N
MW448.53 g/mol
LogP3.55
Rot. Bonds6

About [(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate

[(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate (PubChem CID 24765897) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is [(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Name[(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
PubChem CID24765897
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name[(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
SMILESCN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C)c1ccccc1
InChIInChI=1S/C24H28N6O3/c1-24(2)20-17(21(28-27-20)26-22(31)18-12-8-9-13-25-18)14-30(24)23(32)33-19(15-29(3)4)16-10-6-5-7-11-16/h5-13,19H,14-15H2,1-4H3,(H2,26,27,28,31)/t19-/m1/s1
InChIKeyDDZMUAKMLZHEEB-LJQANCHMSA-N
XLogP3.55
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Pyridinecarboxamide, N-(5-(((2S,5R)-2,5-dimethyl-4-((tetrahydro-2H-pyran-4-yl)methyl)-1-piperazinyl)carbonyl)-1,4,5,6-tetrahydro-6,6-dimethylpyrrolo(3,4-c)pyrazol-3-yl)-
CID 25014995
Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 3-[(4-fluorobenzoyl)amino]-4,6-dihydro-6,6-dimethyl-, (1S)-2-(dimethylamino)-1-phenylethyl ester
CID 16202256
[(1S)-2-(dimethylamino)-1-phenylethyl] 3-benzamido-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 57523680
[(1S)-2-(dimethylamino)-1-phenylethyl] 3-[(2,4-difluorobenzoyl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 57523705
N-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide
CID 127035740
[(1S)-2-(dimethylamino)-1-phenylethyl] 3-[(5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 59474150
[(1S)-2-(dimethylamino)-1-phenylethyl] 3-[(2-ethoxy-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 59474168
[(1S)-2-(dimethylamino)-1-phenylethyl] 3-[(2-cyanopyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 59474178
[(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 59474204
[(1S)-2-(dimethylamino)-1-phenylethyl] 3-[(5-fluoro-2-methoxypyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 59474221
[(1S)-2-(dimethylamino)-1-phenylethyl] 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 59474232
N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
CID 59508131

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?
The IUPAC name of [(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate (CID 24765897) is [(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate.
What is the SMILES notation for [(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?
The canonical SMILES for [(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate is CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C)c1ccccc1.
What is the InChIKey of [(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?
The InChIKey is DDZMUAKMLZHEEB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-24(2)20-17(21(28-27-20)26-22(31)18-12-8-9-13-25-18)14-30(24)23(32)33-19(15-29(3)4)16-10-6-5-7-11-16/h5-13,19H,14-15H2,1-4H3,(H2,26,27,28,31)/t19-/m1/s1.
What are the key properties of [(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?
[(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate has a molecular weight of 448.53 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-(pyridine-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate is sourced from PubChem (CID 24765897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).